AC1O1ZQW structure

AC1O1ZQW

ethyl 4-[9-methyl-4-oxo-3-[(Z)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate

Also Known As: ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|(Z)-ethyl 4-(9-methyl-4-oxo-3-((4-oxo-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|ethyl 4-(9-methyl-4-oxo-3-{[4-oxo-3-(oxolan-2-ylmethyl)-2-thioxo(1,3-thiazolid in-5-ylidene)]methyl}-5-hydropyridino[1,2-a]pyrimidin-2-yl)piperazinecarboxyla te|ethyl 4-[9-methyl-4-oxo-3-[(Z)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate

CAS: 607693-40-3
Molecular Formula C25H29N5O5S2
Molecular Weight 543.161 g/mol
LogP 2.66162
Topological Polar Surface Area 96.69 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
Rotatable Bonds 5
Exact Mass 543.161
Monoisotopic Mass 543.161
Heavy Atoms 37
Complexity 1328.7345

Chemical Identifiers

CAS Number 607693-40-3
SMILES CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5CCCO5

Product Overview

AC1O1ZQW (CAS 607693-40-3), with molecular formula C25H29N5O5S2 and molecular weight 543.161 g/mol. IUPAC: ethyl 4-[9-methyl-4-oxo-3-[(Z)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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